Geometry & MOs

Info

ID:	304408
PubChem CID:	124582948
Reduced:	NPO7C28H51 (1)
Stoich.:	ABC7D28E51 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-329.63
Dipole, Da:	6.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.755401
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-anilino-6-methyl-5-propyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations